Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.73 |
| ▸ | TSHR | P16473 | 2/20 | 0.73 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL365705 | 0.95 | TSHR (0.80) | SMN1; SMN2TSHRBCAT1POLBCYP2D6 | |
| Acetic Acid SCHEMBL27820715 | 0.93 | TSHR (0.76) | SMN1; SMN2TSHRBCAT1POLBCYP2D6 | |
| SCHEMBL2638204 | 0.93 | TSHR (0.84) | SMN1; SMN2TSHRBCAT1POLBCYP2D6 | |
| Acetone SCHEMBL27970561 | 0.91 | TSHR (0.80) | SMN1; SMN2TSHRBCAT1POLBCYP2D6 | |
| Sulfuric Acid SCHEMBL6731449 | 0.91 | TSHR (0.80) | SMN1; SMN2TSHRBCAT1POLBCYP2D6 | |
| Bromide SCHEMBL1067860 | 0.88 | TSHR (0.76) | SMN1; SMN2TSHRBCAT1POLBCYP2D6 | |
| SCHEMBL27485433 | 0.88 | TSHR (0.76) | SMN1; SMN2TSHRBCAT1POLBCYP2D6 | |
| SCHEMBL28199063 | 0.88 | TSHR (0.84) | SMN1; SMN2TSHRBCAT1POLBCYP2D6 | |
| Dimethyl Sulfone SCHEMBL28006518 | 0.88 | TSHR (0.84) | SMN1; SMN2TSHRBCAT1POLBCYP2D6 | |
| SCHEMBL3965224 | 0.87 | TSHR (0.67) | SMN1; SMN2TSHRBCAT1POLBCYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1721904-A1 | FUSED HETEROCYCLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF | Kissei Pharmaceutical Co., Ltd. (JP) | 2006-11-15 | — | — | EP | disclosed |